6533b85efe1ef96bd12c09b4
RESEARCH PRODUCT
Analysis of the U L3-edge X-ray absorption spectra in UO2 using molecular dynamics simulations
Matthias MartinMelanie CholletJuris PuransDmitry BocharovDmitry BocharovAlexei KuzminDaniel GrolimundEugene A. KotominJohannes BertschMatthias Kracksubject
Absorption spectroscopyUranium dioxideAb initioEnergy Engineering and Power Technologychemistry.chemical_elementNanotechnology02 engineering and technologyMolecular dynamics01 natural sciencesMolecular physicschemistry.chemical_compoundUranium dioxide0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Safety Risk Reliability and QualitySpectroscopyAbsorption (electromagnetic radiation)Waste Management and Disposal010302 applied physicsPhysicsX-ray absorption spectroscopyExtended X-ray absorption fine structureX-ray absorption spectroscopyUranium021001 nanoscience & nanotechnologyEXAFSNuclear Energy and Engineeringchemistry0210 nano-technologyCP2Kdescription
This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under the project ID s444. The resource allocation within the PSI share at CSCS and on the PSI compute cluster Merlin4 is also acknowledged. D. B. is grateful for a fellowship within the Sciex-NMS programme. A. K. was supported by Latvian Science Council Grant no. 187/2012.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2017-01-01 |